Geometry & MOs

Info

ID:	70809
PubChem CID:	48413899
Reduced:	ClOSN4H15C16 (1)
Stoich.:	ABCD4E15F16 (1)
Weight, g/mol:	298.088832
ΔH_f, kcal/mol:	27.85
Dipole, Da:	2.22
IP(EA), eV:	-9.41(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-phenyl-1,3-thiazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=NN1)CNC(=O)C2=C(N=C(S2)C3=CC(=CC=C3)Cl)C

DOS

IR

Vibrations